Simulation of an atomistic dynamic field theory for monatomic liquids: Freezing and glass formation

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volumn 77, Issue 6, 2008, Pages

  Berry, Joel ^a   Elder, K R ^b   Grant, Martin ^a  

^a MCGILL UNIVERSITY   (Canada)

^b OAKLAND UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER NETWORKS; COOLING; CRYSTALLOGRAPHY; DENSITY FUNCTIONAL THEORY; DYNAMIC MODELS; DYNAMICAL SYSTEMS; DYNAMICS; EQUATIONS OF MOTION; FLUIDS; FREE ENERGY; FREEZING; GLASS; GLASS TRANSITION; LIQUID PHASE EPITAXY; LIQUIDS; MATHEMATICAL MODELS; MECHANICS; PHASE BEHAVIOR; POWDERS; PROBABILITY DENSITY FUNCTION; STRUCTURAL PROPERTIES; SUPERCOOLING; THREE DIMENSIONAL;

(SKEW) FREE ENERGY; AMERICAN PHYSICAL SOCIETY (APS); BCC CRYSTALS; COOLING RATES (CR); DENSITY-FUNCTIONAL (DF); EQUATION OF MOTION; FIELD THEORY; FIRST ORDER TRANSITIONS; FREE-ENERGY FUNCTIONAL; GLASS FORMATION; LANGEVIN SIMULATIONS; MODEL SYSTEMS; MONATOMIC LIQUIDS; NUCLEATION AND GROWTH; PHASE FIELD CRYSTAL (PFC) MODELS; SOLID SYSTEMS; SPINODAL; STRUCTURE AND PROPERTIES; SUPER COOLED LIQUIDS; THREE DIMENSIONAL (3D); TIME SCALING; TRANSITION (JEL CLASSIFICATIONS:E52 ,E41 ,E31);

DENSITY OF LIQUIDS;

EID: 44949228196     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.77.061506     Document Type: Article

References (30)

1. Y. Singh, Phys. Rep. PRPLCM 0370-1573 10.1016/0370-1573(91)90097-6 207, 351 (1991).
2. D. Oxtoby, Annu. Rev. Mater. Res. ARMRCU 1531-7331 10.1146/annurev. matsci.32.100401.103425 32, 39 (2002).
3. B. Kim and K. Kawasaki, J. Phys. A JPHAC5 0305-4470 10.1088/1751-8113/40/ 1/F04 40, F33 (2007).
4. A. Andreanov, G. Biroli, and A. Lefévre, J. Stat. Mech. (2006) P07008. 1742-5468
5. D. Dean, J. Phys. A JPHAC5 0305-4470 10.1088/0305-4470/29/24/001 29, L613 (1996).
6. K. Fuchizaki and K. Kawasaki, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/46/322 14, 12203 (2002).
7. U. Marconi and P. Tarazona, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.478705 110, 8032 (1999).
8. A. Perez-Madrid, D. Reguera, and J. Rubi, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/7/321 14, 1651 (2002).
9. T. Munakata, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.67.022101 67, 022101 (2003).
10. Y. Singh, J. P. Stoessel, and P. G. Wolynes, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.54.1059 54, 1059 (1985).
11. C. Dasgupta and S. Ramaswamy, Physica A PHYADX 0378-4371 10.1016/0378-4371(92)90386-5 186, 314 (1992).
12. C. Kaur and S. P. Das, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.2062 86, 2062 (2001).
13. K. Kim and T. Munakata, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.68.021502 68, 021502 (2003).
14. S. P. Singh and S. P. Das, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/19/24/246107 19, 246107 (2007).
15. T. R. Kirkpatrick and P. G. Wolynes, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.35.3072 35, 3072 (1987).
16. C. Dasgupta and O. T. Valls, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.59.3123 59, 3123 (1999).
17. L. M. Lust, O. T. Valls, and C. Dasgupta, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.48.1787 48, 1787 (1993).
18. K. R. Elder and M. Grant, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.70.051605 70, 051605 (2004).
19. Y. M. Jin and A. G. Khachaturyan, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.2213353 100, 013519 (2006).
20. K. R. Elder, N. Provatas, J. Berry, P. Stefanovic, and M. Grant, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.75.064107 75, 064107 (2007).
21. T. V. Ramakrishnan and M. Yussouff, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.19.2775 19, 2775 (1979).
22. W. Klein, H. Gould, R. A. Ramos, I. Clejan, and A. I. Mel'cuk, Physica A PHYADX 0378-4371 10.1016/0378-4371(94)90233-X 205, 738 (1994).
23. Extrapolation of the data above Ts does predict a crossover, but as additional data below Ts are included, Sdisord is found to approach but not cross Sbcc.
24. G. Johnson, A. I. Mel'cuk, H. Gould, W. Klein, and R. D. Mountain, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.57.5707 57, 5707 (1998).
25. W. Klein, H. Gould, J. Tobochnik, F. J. Alexander, M. Anghel, and G. Johnson, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.85.1270 85, 1270 (2000).
26. H. Sheng, W. Luo, F. Alamgir, J. Bai, and E. Ma, Nature (London) NATUAS 0028-0836 10.1038/nature04421 439, 419 (2006).
27. C. Bennett, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1661585 43, 2727 (1972).
28. J. Finney, Proc. R. Soc. London, Ser. A PRLAAZ 0950-1207 10.1098/rspa.1970.0189 319, 479 (1970).
29. W. Gotze, in Liquids, Freezing and Glass Transition, edited by, J. Hansen, D. Levesque, and, J. Zinn-Justin, (North-Holland, Amsterdam, 1991).
30. M. Cheng and J. Warren, e-print arXiv:physics/0611243.